SCHEMBL30899668

SCHEMBL30899668

CCCn1ncc2ccc(NC(=O)OC(C)(C)C)nc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
MAPK1 P28482 1/20 0.37
PIK3CD O00329 1/20 0.36
CYP17A1 P05093 2/20 0.35
MAPKAPK2 P49137 4/20 0.35
SCN9A Q15858 1/20 0.34
CNR2 P34972 1/20 0.34
CACNA1H O95180 2/20 0.34
NAMPT P43490 1/20 0.34
GRIN2B Q13224 1/20 0.34
HDAC1 Q13547 1/20 0.34
IDO1 P14902 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30899677 0.81 GSK3B (0.40) GSK3BDYRK1ASCN9A
SCHEMBL30899671 0.80 PIM1 (0.39) GSK3BDYRK1ACYP17A1SCN9A
SCHEMBL30899678 0.78 KDM4E (0.38) GSK3BDYRK1AMAPK1CYP17A1
SCHEMBL31017361 0.75 GSK3B (0.37) GSK3BDYRK1AMAPK1PIK3CDMAPKAPK2
SCHEMBL25750456 0.75 GSK3B (0.37) GSK3BDYRK1AMAPK1PIK3CDMAPKAPK2
SCHEMBL28006554 0.73 GSK3B (0.45) GSK3BDYRK1ACYP17A1CNR2CACNA1H
SCHEMBL24517615 0.71 MAPKAPK2 (0.38) GSK3BDYRK1ACYP17A1MAPKAPK2SCN9A
SCHEMBL25833918 0.71 CNR2 (0.38) GSK3BDYRK1ACYP17A1MAPKAPK2CNR2
SCHEMBL13064311 0.70 GSK3B (0.42) GSK3BDYRK1ASCN9A
SCHEMBL29703940 0.69 GSK3B (0.39) GSK3BDYRK1AMAPK1CYP17A1MAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024067465-A1 KIF18A INHIBITOR 山东轩竹医药科技有限公司 2024-04-04 WO disclosed